CID 58110672

C8H7BNO2 — CID 58110672

IUPAC—
SMILESO[B]Oc1cccc2[nH]ccc12
InChIInChI=1S/C8H7BNO2/c11-9-12-8-3-1-2-7-6(8)4-5-10-7/h1-5,10-11H
InChIKeyFPZKOGVXMPVKRD-UHFFFAOYSA-N
MW159.96 g/mol
LogP1.07
Rot. Bonds2

About CID 58110672

CID 58110672 (PubChem CID 58110672) has the molecular formula C8H7BNO2 and a molecular weight of 159.96 g/mol.

Molecular Properties

Compound NameCID 58110672
PubChem CID58110672
Molecular FormulaC8H7BNO2
Molecular Weight159.96 g/mol
Exact Mass160.06
IUPAC Name—
SMILESO[B]Oc1cccc2[nH]ccc12
InChIInChI=1S/C8H7BNO2/c11-9-12-8-3-1-2-7-6(8)4-5-10-7/h1-5,10-11H
InChIKeyFPZKOGVXMPVKRD-UHFFFAOYSA-N
XLogP1.07
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.96
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 172866223
1H-indol-4-yl piperazine-1-carboxylate
CID 152749012
1H-indol-4-amine;hydrochloride
CID 22461572
1H-indol-4-yl 1-methylazetidine-3-carboxylate
CID 175856178
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
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Frequently Asked Questions

What is the IUPAC name of CID 58110672?
The IUPAC name of CID 58110672 (CID 58110672) is not available.
What is the SMILES notation for CID 58110672?
The canonical SMILES for CID 58110672 is O[B]Oc1cccc2[nH]ccc12.
What is the InChIKey of CID 58110672?
The InChIKey is FPZKOGVXMPVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BNO2/c11-9-12-8-3-1-2-7-6(8)4-5-10-7/h1-5,10-11H.
What are the key properties of CID 58110672?
CID 58110672 has a molecular weight of 159.96 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58110672 is sourced from PubChem (CID 58110672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).